SCHEMBL478437

SCHEMBL478437

COC(=O)Nc1ccc(-c2cc(C(CC3CCCN(C(=O)OC(C)(C)C)C3)NC(=O)OCc3ccccc3)n[nH]c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.42
PARP1 P09874 2/20 0.40
BTK Q06187 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ACKR3 P25106 1/20 0.38
PRMT5 O14744 3/20 0.37
HTR6 P50406 1/20 0.37
BACE1 P56817 1/20 0.37
YAP1 P46937 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
KAT7 O95251 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL478434 1.00 F11 (0.42) F11PARP1BTKUSP30ACKR3
SCHEMBL478527 0.92 BTK (0.43) PARP1BTKUSP30ACKR3PRMT5
SCHEMBL478524 0.92 BTK (0.43) PARP1BTKUSP30ACKR3PRMT5
SCHEMBL478889 0.89 PARP1 (0.40) PARP1BTKUSP30ACKR3PRMT5
SCHEMBL478888 0.89 PARP1 (0.40) PARP1BTKUSP30ACKR3PRMT5
SCHEMBL479027 0.89 F11 (0.43) F11PARP1PRMT5BACE1YAP1
SCHEMBL479026 0.89 F11 (0.43) F11PARP1PRMT5BACE1YAP1
SCHEMBL478793 0.82 SYK (0.48) F11BACE1PDE3BPDE3A
SCHEMBL478460 0.80 F11 (0.47) F11PDE3BPDE3AKLKB1PRSS1
SCHEMBL479189 0.80 F11 (0.51) F11PDE3BPDE3AKLKB1PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 F11 1/4885PARP1 1091/4885BTK 768/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.